N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide

C19H20N4O — CID 56739994

IUPACN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1nc(CNC(=O)c2c[nH]c3ccccc23)nc2c1CCCC2
InChIInChI=1S/C19H20N4O/c1-12-13-6-2-5-9-17(13)23-18(22-12)11-21-19(24)15-10-20-16-8-4-3-7-14(15)16/h3-4,7-8,10,20H,2,5-6,9,11H2,1H3,(H,21,24)
InChIKeyJHXKFNIFSZHUQU-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.08
Rot. Bonds3

About N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 56739994) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide
PubChem CID56739994
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1nc(CNC(=O)c2c[nH]c3ccccc23)nc2c1CCCC2
InChIInChI=1S/C19H20N4O/c1-12-13-6-2-5-9-17(13)23-18(22-12)11-21-19(24)15-10-20-16-8-4-3-7-14(15)16/h3-4,7-8,10,20H,2,5-6,9,11H2,1H3,(H,21,24)
InChIKeyJHXKFNIFSZHUQU-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(5-oxo-2-phenylcyclopenten-1-yl)acetamide
CID 131891615
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953
3-(4-hydroxyphenyl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
CID 77085781
N-[(5-methylthiophen-2-yl)methyl]-1H-indole-3-carboxamide
CID 47381407
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 56855023
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-1H-indole-3-carboxamide
CID 121123680
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72872117
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 61381420
4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72901309
(2R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444984

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide (CID 56739994) is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide is Cc1nc(CNC(=O)c2c[nH]c3ccccc23)nc2c1CCCC2.
What is the InChIKey of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is JHXKFNIFSZHUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-13-6-2-5-9-17(13)23-18(22-12)11-21-19(24)15-10-20-16-8-4-3-7-14(15)16/h3-4,7-8,10,20H,2,5-6,9,11H2,1H3,(H,21,24).
What are the key properties of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide?
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 56739994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).